نتائج البحث | University of Bahrain

مقال دورية

DFT study of therapeutic potential of graphitic carbon nitride as a carrier for controlled release of melphalan : an anticancer drug

Perveen, Mehvish

Springer-Verlag GmbH

2022

DFT study of therapeutic potential of graphitic carbon nitride as a carrier for controlled release of melphalan : an anticancer drug

مقال دورية

TD‑DFT, DFT, docking, MD simulations, and concentration‑dependent SERS investigations of a bioactive trifuoromethyl derivative having human acetylcholinesterase and butyrylcholinesterase in silver colloids

Al-Otaibi, J.S

University of Bahrain

2023

مقال دورية

Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants

Allangawi, Abdulrahman

Elsevier B.V.

Chemical sensing ability of aminated graphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants

مقال دورية

Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir : Density Functional Theory Analysis

Zahid, M.N

University of Bahrain

2023

Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir : Density Functional Theory Analysis

مقال دورية

Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach

Sajid , H

University of Bahrain

2022

Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach

مقال دورية

Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes

Kosar, N

University of Bahrain

2023

Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes

مقال دورية

Synthesis, DFT and molecular docking of novel (Z)-4-bromo-N-(4-butyl-3 (quinolin-3-yl) thiazol-2(3H)-ylidene)benzamide as elastase inhibitor

Mustafa, M.N

University of Bahrain

2023

Synthesis, DFT and molecular docking of novel (Z)-4-bromo-N-(4-butyl-3 (quinolin-3-yl) thiazol-2(3H)-ylidene)benzamide as elastase inhibitor

مقال دورية

Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations

Siddique , S.A

University of Bahrain

2022

Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations

مقال دورية

Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides

Kosar, N

University of Bahrain

2023

Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides

مقال دورية

Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase : Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations

Saeed, Aamer

University of Bahrain

2022

Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase : Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations

مقال دورية

Effects of hydrogen/halogen –edge termination on structural, electronic, and optical properties of planar silicene nanoribbons SiNRs

Djabri , I

University of Bahrain

2022

Effects of hydrogen/halogen –edge termination on structural, electronic, and optical properties of planar silicene nanoribbons SiNRs

مقال دورية

Designing of dimethylfluorene-based hole transport materials for high-performance organic/perovskite solar cells

Zahid, Waqar Ali

University of Bahrain

2023

Designing of dimethylfluorene-based hole transport materials for high-performance organic/perovskite solar cells

مقال دورية

Supramolecular Assemblies of 3/4-Chlorobenzoic Acid and Amino-Chloropyridine Derivatives : Synthesis, X-ray Diffraction, DFT Calculations, and Biological Screening

Ahmad, T

University of Bahrain

2023

Supramolecular Assemblies of 3/4-Chlorobenzoic Acid and Amino-Chloropyridine Derivatives : Synthesis, X-ray Diffraction, DFT Calculations, and Biological Screening

مقال دورية

Design, Synthesis, Kinetic Analysis and Pharmacophore-Directed Discovery of 3-Ethylaniline Hybrid Imino-Thiazolidinone as Potential Inhibitor of Carbonic Anhydrase II An Emerging Biological Target for Treatment of Cancer

Atteeque, Ahmed

University of Bahrain

2022

مقال دورية

Engineering push–pull structural versatility in highly functional carbazole-based hole transporting materials design for efficient perovskites solar devices

Akram, Waqas

University of Bahrain

2023

Engineering push–pull structural versatility in highly functional carbazole-based hole transporting materials design for efficient perovskites solar devices

مقال دورية

Single crystal, Hirshfeld surface, DFT analyses of (E)- 2-(2-chloro-6-fluorobenzylidene)hydrazinecarbothioamide: Elastase inhibition and DNA binding studies

Ujan , R

University of Bahrain

2022

Single crystal, Hirshfeld surface, DFT analyses of (E)- 2-(2-chloro-6-fluorobenzylidene)hydrazinecarbothioamide: Elastase inhibition and DNA binding studies

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